[1-[(4-chloranyl-2-methyl-phenoxy)methyl]pyrazol-3-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [1-[(4-chloranyl-2-methyl-phenoxy)methyl]pyrazol-3-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [1-[(4-chloro-2-methyl-phenoxy)methyl]pyrazol-3-yl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [1-[(4-chloro-2-methylphenoxy)methyl]-3-pyrazolyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [1-[(4-chloro-2-methylphenoxy)methyl]pyrazol-3-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [1-[(4-chloro-2-methyl-phenoxy)methyl]pyrazol-3-yl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C20H21ClN4O4S2 MolecularWeight: 480.98814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCN2C=CC(=N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCN2C=CC(=N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H21ClN4O4S2/c1-15-13-16(21)4-5-18(15)29-14-24-7-6-17(22-24)20(26)23-8-10-25(11-9-23)31(27,28)19-3-2-12-30-19/h2-7,12-13H,8-11,14H2,1H3